4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine

C16H27N3O2 — CID 66180815

IUPAC4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
SMILESCOC(CC(C)(CN)N1CCN(C)c2ccccc21)OC
InChIInChI=1S/C16H27N3O2/c1-16(12-17,11-15(20-3)21-4)19-10-9-18(2)13-7-5-6-8-14(13)19/h5-8,15H,9-12,17H2,1-4H3
InChIKeyNKSSJYYLWYEPEO-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.67
Rot. Bonds6

About 4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine

4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine (PubChem CID 66180815) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
PubChem CID66180815
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine
SMILESCOC(CC(C)(CN)N1CCN(C)c2ccccc21)OC
InChIInChI=1S/C16H27N3O2/c1-16(12-17,11-15(20-3)21-4)19-10-9-18(2)13-7-5-6-8-14(13)19/h5-8,15H,9-12,17H2,1-4H3
InChIKeyNKSSJYYLWYEPEO-UHFFFAOYSA-N
XLogP1.67
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine?
The IUPAC name of 4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine (CID 66180815) is 4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine.
What is the SMILES notation for 4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine?
The canonical SMILES for 4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine is COC(CC(C)(CN)N1CCN(C)c2ccccc21)OC.
What is the InChIKey of 4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine?
The InChIKey is NKSSJYYLWYEPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(12-17,11-15(20-3)21-4)19-10-9-18(2)13-7-5-6-8-14(13)19/h5-8,15H,9-12,17H2,1-4H3.
What are the key properties of 4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine?
4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-amine is sourced from PubChem (CID 66180815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).